>compound Sinapoyl malate_Sinapoyl malate
#instrument UPLC Q-Tof Premier, Waters
>formula C15H16O9
#smiles OC(=O)CC(C(O)=O)OC(=O)C=Cc(c1)cc(OC)c(O)c(OC)1
#RECORD LC-ESI-QTOF_train_data/PR101055.txt;LC-ESI-QTOF_train_data/PR101003.txt
>charge 1
>ionization [M+H]+
>parentmass 341.08725

>collision 5-60
65.0419 21.29
76.0336 13.59
89.0402 21.39
91.056 205.1
101.0395 17.8
104.0279 11.2
117.0341 16.47
118.0443 12.53
119.0504 206.9
129.0339 38.53
132.0219 27.17
135.0455 16.57
147.0454 157.6
149.0258 25.93
164.0465 14.4
175.0409 272.1
176.0469 12.38
179.0716 17.13
207.0663 504.2
341.0872 18.82

>collision 5-60
71.0153 296.1
93.0348 85.19
115.0032 224.8
121.0289 537.1
133.0134 263.2
147.0444 87.83
149.0235 1268.0
164.0467 925.0
179.0704 83.85
193.0131 50.2
208.037 91.7
223.0596 1835.0
224.065 49.94
339.0716 51.01

